SCHEMBL17486945

SCHEMBL17486945

CCn1c2c(c3cccnc31)CCN(C)C2

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 9/20 0.46
▸ HRH1 P35367 3/20 0.44
▸ HTR6 P50406 3/20 0.44
▸ HDAC1 Q13547 2/20 0.41
▸ HDAC6 Q9UBN7 2/20 0.41
▸ HDAC3 O15379 1/20 0.40
▸ HDAC2 Q92769 1/20 0.40
▸ HDAC10 Q969S8 1/20 0.40
▸ HDAC8 Q9BY41 1/20 0.40
▸ NCOR2 Q9Y618 1/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ MAOA P21397 3/20 0.39
▸ MAOB P27338 3/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL26017343 0.90 HRH1 (0.45) ENPP2HRH1HTR6KDM4EALDH1A1
SCHEMBL17486943 0.80 ENPP2 (0.61) ENPP2
SCHEMBL19271273 0.80 DDB1 (0.46) ENPP2HRH1HTR6KDM4EALDH1A1
SCHEMBL13663408 0.79 ENPP2 (0.51) ENPP2
SCHEMBL13654578 0.78 ENPP2 (0.45) ENPP2HDAC1HDAC6HDAC3HDAC2
SCHEMBL14995623 0.76 HDAC6 (0.72) ENPP2HDAC1HDAC6HDAC3HDAC2
SCHEMBL17486946 0.76 HDAC1 (0.38) ENPP2HTR6HDAC1HDAC6KDM4E
SCHEMBL24101726 0.76 CYP1A2 (0.44) ENPP2HRH1HTR6
SCHEMBL30339398 0.76 CYP1A2 (0.44) ENPP2HRH1HTR6
SCHEMBL17486947 0.74 ENPP2 (0.60) ENPP2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9862721-B2 Tetrahydrocarboline derivative ONO PHARMACEUTICAL CO., LTD. (JP) 2018-01-09 — — US disclosed
US-9353113-B2 Tetrahydrocarboline derivative ONO PHARMACEUTICAL CO., LTD. (JP) 2016-05-31 — — US disclosed
US-20160031884-A1 TETRAHYDROCARBOLINE DERIVATIVE ONO PHARMACEUTICAL CO., LTD. (JP) 2016-02-04 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20160031884-A1 TETRAHYDROCARBOLINE DERIVATIVE ENPP2, ENPP1, ACER2 ENPP2 1/4885HRH1 1854/4885HTR6 2610/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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